SCHEMBL6210271

SCHEMBL6210271

CCOC(=O)C(O)C(Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.41
KCNMA1 Q12791 1/20 0.41
POLB P06746 1/20 0.40
S1PR4 O95977 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8340434 0.87 MAPT (0.43) MAPTNPSR1ALDH1A1HPGDHTT
SCHEMBL14260875 0.87 MAPT (0.43) MAPTNPSR1ALDH1A1HPGDHTT
SCHEMBL8342702 0.87 L3MBTL1 (0.52) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL6190192 0.87 L3MBTL1 (0.52) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL6212321 0.86 ALDH1A1 (0.45) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL3359038 0.81 LMNA (0.47) LMNAMAPTNPSR1ALDH1A1HPGD
SCHEMBL7288753 0.77 ALDH1A1 (0.48) LMNAMAPTNPSR1ALDH1A1HPGD
SCHEMBL3343328 0.76 HSPB1 (0.41) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL14260873 0.76 MAPT (0.43) MAPTNPSR1ALDH1A1HPGDHTT
SCHEMBL8340048 0.76 MAPT (0.43) MAPTNPSR1ALDH1A1HPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101443014-A Compound (I) ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed